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Update numpy to 2.4.1, matplotlib to 3.10.8 and pysqa to 0.3.4 (#891)
* Update environment-integration.yml * Update environment-mini.yml * Update environment-mpich.yml * Update environment-openmpi.yml * Update environment-win.yml * Update pyproject.toml * Update environment-integration.yml
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-11
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.ci_support/environment-integration.yml

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@@ -4,7 +4,7 @@ dependencies:
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- h5py =3.15.1
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- jupyter
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- mpi4py =4.1.1
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- numpy =2.3.3
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- numpy =2.3.5
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- openmpi
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- papermill
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- atomistics =0.3.4
@@ -15,9 +15,9 @@ dependencies:
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- hatchling =1.28.0
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- hatch-vcs =0.5.0
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- ipython =9.9.0
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- matplotlib =3.10.6
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- matplotlib =3.10.8
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- networkx =3.6.1
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- pygraphviz =1.14
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- pysqa =0.3.3
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- pysqa =0.3.4
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- pyzmq =27.1.0
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- qe =7.5

.ci_support/environment-mini.yml

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@@ -2,7 +2,7 @@ channels:
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- conda-forge
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dependencies:
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- python
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- numpy =2.3.3
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- numpy =2.4.1
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- cloudpickle =3.1.0
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- hatchling =1.28.0
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- hatch-vcs =0.5.0

.ci_support/environment-mpich.yml

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@@ -2,7 +2,7 @@ channels:
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- conda-forge
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dependencies:
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- python
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- numpy =2.3.3
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- numpy =2.4.1
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- mpich
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- cloudpickle =3.1.2
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- h5py =3.15.1
@@ -12,5 +12,5 @@ dependencies:
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- mpi4py =4.1.1
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- networkx =3.6.1
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- pygraphviz =1.14
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- pysqa =0.3.3
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- pysqa =0.3.4
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- pyzmq =27.1.0

.ci_support/environment-openmpi.yml

Lines changed: 2 additions & 2 deletions
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@@ -2,7 +2,7 @@ channels:
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- conda-forge
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dependencies:
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- python
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- numpy =2.3.3
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- numpy =2.4.1
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- openmpi
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- cloudpickle =3.1.2
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- h5py =3.15.1
@@ -12,5 +12,5 @@ dependencies:
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- mpi4py =4.1.1
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- networkx =3.6.1
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- pygraphviz =1.14
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- pysqa =0.3.3
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- pysqa =0.3.4
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- pyzmq =27.1.0

.ci_support/environment-win.yml

Lines changed: 1 addition & 1 deletion
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@@ -2,7 +2,7 @@ channels:
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- conda-forge
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dependencies:
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- python
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- numpy =2.3.3
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- numpy =2.4.1
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- msmpi
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- cloudpickle =3.1.2
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- h5py =3.15.1

pyproject.toml

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@@ -52,12 +52,12 @@ graphnotebook = [
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]
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mpi = ["mpi4py==4.1.1"]
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cluster = [
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"pysqa==0.3.3",
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"pysqa==0.3.4",
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"h5py==3.15.1",
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]
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all = [
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"mpi4py==4.1.1",
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"pysqa==0.3.3",
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"pysqa==0.3.4",
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"h5py==3.15.1",
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"pygraphviz==1.14",
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"networkx==3.6.1",

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